SCHEMBL4776153

SCHEMBL4776153

CCn1ncc2c(-c3cccnc3)c(/C=C/C(=O)O)c(-c3ccccc3)nc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 5/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
FYN P06241 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
HPGD P15428 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
ATM Q13315 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4776157 1.00 TBXAS1 (0.40) TBXAS1KMT2AMEN1FYNPIK3CA
SCHEMBL4772301 0.92 SMN1; SMN2 (0.39) KMT2AMEN1PIK3CAMTORHPGD
SCHEMBL4772312 0.92 SMN1; SMN2 (0.39) KMT2AMEN1PIK3CAMTORHPGD
SCHEMBL1814100 0.88 HPGD (0.36) KMT2AMEN1HPGDNPC1RAB9A
SCHEMBL1814098 0.88 HPGD (0.36) KMT2AMEN1HPGDNPC1RAB9A
SCHEMBL4769903 0.87 HPGD (0.34) HPGDNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4769892 0.87 HPGD (0.34) HPGDNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4776264 0.87 SMN1; SMN2 (0.33) KMT2APIK3CAMTORHPGDNPC1
SCHEMBL4776271 0.87 SMN1; SMN2 (0.33) KMT2APIK3CAMTORHPGDNPC1
SCHEMBL4777489 0.87 TBXAS1 (0.44) TBXAS1KMT2AMEN1PIK3CAMTOR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459451-B2 e.g. 1-Ethyl-4-(5-methyl-3-pyridyl)-6-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid; phosphodiesterase (PDE)-IV inhibitor or tumor necrosis factor (TNF)- alpha antagonist; autoimmune diseases, antidepressant, anxiolytic agent; polychondritis, scleroderma, fibrosis, arthritis, Alzheimer's disease ASTELLAS PHARMA INC. (JP) 2008-12-02 US disclosed
EP-1763528-B1 PYRAZOLOPYRIDINE DERIVATIVES ASTELLAS PHARMA INC (JP) 2008-11-26 EP disclosed
EP-1763528-A1 PYRAZOLOPYRIDINE DERIVATIVES Astellas Pharma Inc. (JP) 2007-03-21 EP disclosed
WO-2006004188-A1 PYRAZOLOPYRIDINE DERIVATIVES ASTELLAS PHARMA INC. (JP) 2006-01-12 WO disclosed
US-20060004003-A1 Pyrazolopyridine derivatives ASTELLAS PHARMA INC. (JP) 2006-01-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060004003-A1 Pyrazolopyridine derivatives PDE4A, PDE3B, PDE5A TBXAS1 635/4885KMT2A 3727/4885MEN1 3100/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.